SCHEMBL28526896

SCHEMBL28526896

COc1ccc(CCc2c(N)ccc3ccc(N)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.47
▸ MAOB P27338 2/20 0.44
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29987813 0.82 CYP19A1 (0.47) CYP19A1TAAR1MAOBTUBB4ATUBB
SCHEMBL28528983 0.81 TAAR1 (0.43) CYP19A1TAAR1MAOBCYP3A4AOC3
SCHEMBL8746062 0.76 CYP19A1 (0.74) CYP19A1TAAR1MAOBTUBB4ATUBB
SCHEMBL3251668 0.74 CYP19A1 (0.57) CYP19A1TAAR1MAOBTUBB4ATUBB
Hydrochloric Acid SCHEMBL3249498 0.73 CYP19A1 (0.56) CYP19A1TAAR1MAOBTUBB4ATUBB
SCHEMBL20274127 0.72 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4CYP2D6KDM4E
SCHEMBL10450398 0.72 TAAR1 (0.64) TAAR1MAOBTUBB4ATUBBTUBA3C
SCHEMBL7004918 0.70 CYP19A1 (0.67) CYP19A1TAAR1MAOBTUBB4ATUBB
SCHEMBL834551 0.70 TAAR1 (0.73) TAAR1MAOBTUBB4ATUBBTUBA3C
SCHEMBL12110695 0.69 TDP1 (0.50) CYP19A1TAAR1MAOBTDP1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111792999-B Dinaphthylamine compounds, and preparation method and application thereof 五邑大学 2022-08-09 — — CN disclosed
CN-111792999-A Dinaphthylamine compounds, and preparation method and application thereof 五邑大学 2020-10-20 — — CN disclosed
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